CAS 921938-83-2|Perfluorophenyl 3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate 97%|3,4-Dihydro-4-methyl-7-[(pentafluorophenoxy)carbonyl]-2H-pyrido[3,2-b][1,4]oxazine|pentafluorophen...

基本信息

化学结构

分子式

C₁₅H₉F₅N₂O₃

分子量

360.235576

精确质量

360.05333326

电荷

InChI

InChI=1S/C15H9F5N2O3/c1-22-2-3-24-7-4-6(5-21-14(7)22)15(23)25-13-11(19)9(17)8(16)10(18)12(13)20/h4-5H,2-3H2,1H3

InChIKey

WEFDLXWSZQWZNH-UHFFFAOYSA-N

Canonic Smiles

O=C(c1cnc2c(c1)OCCN2C)Oc1c(F)c(F)c(c(c1F)F)F

Isomeric Smiles

n1cc(cc2c1N(CCO2)C)C(=O)Oc1c(c(c(c(c1F)F)F)F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.4842875

LogD (pH = 7.4)

3.5035717

Log P

3.5038238

摩尔折射率

76.0223

极化性

27.260477

极化表面积

51.66

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

3,4-Dihydro-4-methyl-7-[(pentafluorophenoxy)carbonyl]-2H-pyrido[3,2-b][1,4]oxazinePerfluorophenyl 3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate 97%Pentafluorophenyl 3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylatepentafluorophenyl 4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate

IUPAC传统名

pentafluorophenyl 4-methyl-2H,3H-pyrido[3,2-b][1,4]oxazine-7-carboxylate

IUPAC标准名

pentafluorophenyl 4-methyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-7-carboxylate

名称和标识

数据登录号

MDL号

MFCD09817508

CAS号

921938-83-2

PubChem CID

24229652